(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol

C11H17NO2S — CID 99717414

IUPAC(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
SMILESO[C@H](CN[C@H]1CCCSC1)c1ccco1
InChIInChI=1S/C11H17NO2S/c13-10(11-4-1-5-14-11)7-12-9-3-2-6-15-8-9/h1,4-5,9-10,12-13H,2-3,6-8H2/t9-,10+/m0/s1
InChIKeyYLSIFOSJOWRYNU-VHSXEESVSA-N
MW227.33 g/mol
LogP1.80
Rot. Bonds4

About (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol

(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol (PubChem CID 99717414) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
PubChem CID99717414
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol
SMILESO[C@H](CN[C@H]1CCCSC1)c1ccco1
InChIInChI=1S/C11H17NO2S/c13-10(11-4-1-5-14-11)7-12-9-3-2-6-15-8-9/h1,4-5,9-10,12-13H,2-3,6-8H2/t9-,10+/m0/s1
InChIKeyYLSIFOSJOWRYNU-VHSXEESVSA-N
XLogP1.80
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol?
The IUPAC name of (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol (CID 99717414) is (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol is O[C@H](CN[C@H]1CCCSC1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol?
The InChIKey is YLSIFOSJOWRYNU-VHSXEESVSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-10(11-4-1-5-14-11)7-12-9-3-2-6-15-8-9/h1,4-5,9-10,12-13H,2-3,6-8H2/t9-,10+/m0/s1.
What are the key properties of (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol?
(1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-2-[[(3S)-thian-3-yl]amino]ethanol is sourced from PubChem (CID 99717414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).